N-(2,2-dimethylpropyl)-3,5,6-trifluoropyridin-2-amine

C10H13F3N2 — CID 20785801

IUPACN-(2,2-dimethylpropyl)-3,5,6-trifluoropyridin-2-amine
SMILESCC(C)(C)CNc1nc(F)c(F)cc1F
InChIInChI=1S/C10H13F3N2/c1-10(2,3)5-14-9-7(12)4-6(11)8(13)15-9/h4H,5H2,1-3H3,(H,14,15)
InChIKeyURHGIEOTRVFCLQ-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.96
Rot. Bonds2

About N-(2,2-dimethylpropyl)-3,5,6-trifluoropyridin-2-amine

N-(2,2-dimethylpropyl)-3,5,6-trifluoropyridin-2-amine (PubChem CID 20785801) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3,5,6-trifluoropyridin-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3,5,6-trifluoropyridin-2-amine
PubChem CID20785801
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC NameN-(2,2-dimethylpropyl)-3,5,6-trifluoropyridin-2-amine
SMILESCC(C)(C)CNc1nc(F)c(F)cc1F
InChIInChI=1S/C10H13F3N2/c1-10(2,3)5-14-9-7(12)4-6(11)8(13)15-9/h4H,5H2,1-3H3,(H,14,15)
InChIKeyURHGIEOTRVFCLQ-UHFFFAOYSA-N
XLogP2.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3,5,6-trifluoropyridin-2-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-3,5,6-trifluoropyridin-2-amine (CID 20785801) is N-(2,2-dimethylpropyl)-3,5,6-trifluoropyridin-2-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3,5,6-trifluoropyridin-2-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-3,5,6-trifluoropyridin-2-amine is CC(C)(C)CNc1nc(F)c(F)cc1F.
What is the InChIKey of N-(2,2-dimethylpropyl)-3,5,6-trifluoropyridin-2-amine?
The InChIKey is URHGIEOTRVFCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-10(2,3)5-14-9-7(12)4-6(11)8(13)15-9/h4H,5H2,1-3H3,(H,14,15).
What are the key properties of N-(2,2-dimethylpropyl)-3,5,6-trifluoropyridin-2-amine?
N-(2,2-dimethylpropyl)-3,5,6-trifluoropyridin-2-amine has a molecular weight of 218.22 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3,5,6-trifluoropyridin-2-amine is sourced from PubChem (CID 20785801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).